[4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone

C14H24N2O2 — CID 120933192

IUPAC[4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone
SMILESNCC1(C(=O)N2CCC3(CCC3)C2)CCOCC1
InChIInChI=1S/C14H24N2O2/c15-10-14(5-8-18-9-6-14)12(17)16-7-4-13(11-16)2-1-3-13/h1-11,15H2
InChIKeyILEFHQPGPZYXJK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.14
Rot. Bonds2

About [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone

[4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone (PubChem CID 120933192) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone
PubChem CID120933192
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone
SMILESNCC1(C(=O)N2CCC3(CCC3)C2)CCOCC1
InChIInChI=1S/C14H24N2O2/c15-10-14(5-8-18-9-6-14)12(17)16-7-4-13(11-16)2-1-3-13/h1-11,15H2
InChIKeyILEFHQPGPZYXJK-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone with MolForge

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120932230
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120925779
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937
4-[4-(aminomethyl)oxane-4-carbonyl]piperazine-2,6-dione
CID 66082926
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(aminomethyl)oxan-4-yl]methanone;hydrochloride
CID 120933101
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
4-[4-(aminomethyl)oxane-4-carbonyl]-N,N-diethylpiperazine-1-carboxamide
CID 120923590
[1-(aminomethyl)cyclopentyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355739
4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 120920168
1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylic acid
CID 115439352

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone (CID 120933192) is [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone is NCC1(C(=O)N2CCC3(CCC3)C2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone?
The InChIKey is ILEFHQPGPZYXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-10-14(5-8-18-9-6-14)12(17)16-7-4-13(11-16)2-1-3-13/h1-11,15H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone?
[4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone is sourced from PubChem (CID 120933192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).